14-hydroxyrankinidine

AlkaPlorer ID: AK175578

Synonym: None

IUPAC Name: (1S,2S,4S,7Z,8R,9S,12S)-7-ethylidene-12-hydroxy-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one

Structure

SMILES: C/C=C1\CN[C@H]2C[C@@]3(C(=O)N(OC)C4=CC=CC=C43)[C@@H]3OC[C@H]2[C@H]1[C@@H]3O

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InChI: InChI=1S/C20H24N2O4/c1-3-11-9-21-14-8-20(18-17(23)16(11)12(14)10-26-18)13-6-4-5-7-15(13)22(25-2)19(20)24/h3-7,12,14,16-18,21,23H,8-10H2,1-2H3/b11-3+/t12-,14+,16+,17+,18-,20+/m1/s1

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InChIKey: QYEISPPZSPMJRN-LGXKXPMWSA-N

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Source

Properties Information

Molecule Weight: 356.4220000000001

TPSA: 71.03000000000002

MolLogP: 1.1462999999999997

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information